E729-0033 Screening compound: ethyl 4-({[4-(ethoxycarbonyl)phenyl]carbamoyl}amino)-2-(methylsulfanyl)pyrimidine-5-carboxylate

E729-0033 Screening compound: ethyl 4-({[4-(ethoxycarbonyl)phenyl]carbamoyl}amino)-2-(methylsulfanyl)pyrimidine-5-carboxylate
E729-0033 Screening compound: ethyl 4-({[4-(ethoxycarbonyl)phenyl]carbamoyl}amino)-2-(methylsulfanyl)pyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E729-0033
ethyl 4-({[4-(ethoxycarbonyl)phenyl]carbamoyl}amino)-2-(methylsulfanyl)pyrimidine-5-carboxylate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

E729-0033

Molecular Formula

C18H20N4O5S (C18 H20 N4 O5 S)

Compound Name

ethyl 4-({[4-(ethoxycarbonyl)phenyl]carbamoyl}amino)-2-(methylsulfanyl)pyrimidine-5-carboxylate

IUPAC name

ethyl 4-({[4-(ethoxycarbonyl)phenyl]carbamoyl}amino)-2-(methylsulfanyl)pyrimidine-5-carboxylate

SMILES

CCOC(c(cc1)ccc1NC(Nc(nc(nc1)SC)c1C(OCC)=O)=O)=O

InChI

InChI=1S/C18H20N4O5S/c1-4-26-15(23)11-6-8-12(9-7-11)20-17(25)21-14-13(16(24)27-5-2)10-19-18(22-14)28-3/h6-10H,4-5H2,1-3H3,(H2,19,20,21,22,25)

InChI Key

SQQWQODKCMTCPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14913254

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.45

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.146

Distribution Coefficient, logD

2.816

Water Solubility, LogSw

-4.07

Polar Surface Area

92.503

Acid Dissociation Constant (pKa)

6.09

Base Dissociation Constant (pKb)

-2.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

E729-0033 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with E729-0033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E729-0033?
Check Price and Availability of E729-0033, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E729-0033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E729-0033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E729-0033
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of E729-0033 available by request